0 B11R1.17 c1cncc(c1CCCO)Br ct051vp1fp4 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.4 CCCc1ccncc1O cdp254de8 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.4 CCNc1cnccc1C ct051vp1fp2de2 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.4 CCOc1c(cccn1)C a007de1de11 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.4 CCOc1c(cccn1)Cl cin105vpfp2 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 CCOc1c(cccn1)N a007de1de3 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.4 CCOc1cccnc1Br ct091de1 [1,0,0,0,0,0|2,1,0]=4 7 B10R1.4 CCOc1cccnc1C rp328 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.4 CCOc1cccnc1N rp140 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.4 CCOc1ccncc1Br ct091de6 [1,0,0,0,0,0|2,1,0]=4 10 B10R1.4 CCOc1ccncc1C ct091de2de5 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 CCOc1ccncc1Cl ct091de2de7 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.4 CCOc1ccncc1F ct091de2de6 [1,0,0,0,0,0|2,1,0]=4 13 B10R1.4 CCOc1cnccc1Br ct091de7 [1,0,0,0,0,0|2,1,0]=4 14 B10R1.4 CCOc1cnccc1N a007de1de13 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 CN\N=C\c1ccccc1 jmc010 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.17 c1cc(cnc1)CCCCl tv003vp1 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 c1cc(cnc1)CCCN tv003 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 c1ccc(cc1)C\C=N\O ab004 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.17 c1cnccc1CCCCl tv004vp1 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.17 c1cnccc1CCCN tv004 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.25 C#CCOc1cccc(c1Cl)Cl fd131lit5 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.25 C#CCSc1cccc(c1Cl)Cl fd131lit20 [0,1,0,0,0,0|2,0,1]=4 23 B12R2.32 c1ccc2c(c1)CC(N2)CI cic016 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.1081 c1cnc(c2c1CCCC2)N cdp104de6 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.8 c1ccc(cc1)\C=N\N un308 [2,0,0,0,0,0|1,0,1]=4 26 B9R1.15 CCc1cccnc1O a006de13 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.15 COc1cnccc1Cl ct074fp3vp1de9 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.15 CSc1c(cccn1)Cl cin105vpfp5 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.15 Cc1ccncc1NC ct051vp1fp2 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.15 c1cc(c(nc1)CBr)Cl cdp023fp1 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.15 c1cc(c(nc1)CN)Cl cdp027vp1fp2 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.13 CCOc1c(c(ccn1)N)Cl a007de1fp9 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN a057 [1,1,0,0,0,0|0,0,0]=2 34 B11R1.81 CCCn1ccc(=O)cc1C cdp100fp3 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.81 Cc1ccc(c(c1)C)CCN a062 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.605 CCOc1c(cncc1Cl)Cl ct091de2de4 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.1 COCOc1ccc(cc1)Br dq127vp1 [1,1,0,0,0,0|2,0,0]=4 38 B11R1.28 c1cc(cnc1)CCCCN tv004lit2 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.28 c1ccnc(c1)CCCCN tv004lit6 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.28 c1cnccc1CCCCN tv004lit1 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.40 C=CC(Cc1ccccc1)O jmc125 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.91 CN(C)\N=C\c1ccccc1 a083 [1,1,0,0,0,0|1,0,1]=4 43 B11R2.20 c1cc2c(nc1)CCCO2 un291 [1,0,0,1,0,0|2,0,0]=4 44 B11R2.55 Cc1ccccc1C2CC2 ll026 [1,0,0,1,0,0|1,0,0]=3 45 B11R2.55 c1ccc(c(c1)C2CC2)Cl ll018 [1,0,0,1,0,0|0,0,0]=2 46 B11R2.55 c1ccc(c(c1)C2CC2)F ll022 [1,0,0,1,0,0|0,1,0]=3 47 B11R2.238 c1ccc(cc1)NC2CC2 bio045 [1,0,0,1,0,0|2,0,0]=4 48 B13R2.57 c1ccc2c(c1)CCC(C2)CI cic035 [0,1,0,1,0,0|2,0,0]=4 49 B13R2.435 CC(=O)C1Cc2ccccc2C1 dc05 [0,1,0,1,0,0|2,0,0]=4